USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 THR OG1 : rot -170:sc= 0.016 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -172:sc= -0.699 (180deg=-0.728) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0725) USER MOD Single : A 18 GLN : amide:sc= -0.515 X(o=-0.52,f=-0.59) USER MOD Single : A 22 CYS SG : rot 24:sc= 0.216 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 91:sc= -0.198 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 39 GLN : amide:sc= -0.516 K(o=-0.52,f=-4.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -3.56! C(o=-3.6!,f=-4.2!) USER MOD Single : A 65 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.58) USER MOD Single : A 69 SER OG : rot 86:sc= -0.112 USER MOD Single : A 71 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ 139:sc= -0.572 (180deg=-2.09!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.968 X(o=-0.97,f=-1.3) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -54:sc= 0.538 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.487 -1.204 -15.973 1.00 0.00 N ATOM 2 CA GLY A 1 8.096 -1.191 -15.561 1.00 0.00 C ATOM 3 C GLY A 1 7.607 0.202 -15.215 1.00 0.00 C ATOM 4 O GLY A 1 7.781 1.139 -15.994 1.00 0.00 O ATOM 0 H1 GLY A 1 9.773 -2.178 -16.199 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.605 -0.605 -16.815 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.081 -0.839 -15.202 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.479 -1.601 -16.361 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.970 -1.842 -14.696 1.00 0.00 H new ATOM 8 N SER A 2 6.991 0.338 -14.045 1.00 0.00 N ATOM 9 CA SER A 2 6.470 1.625 -13.601 1.00 0.00 C ATOM 10 C SER A 2 7.432 2.291 -12.621 1.00 0.00 C ATOM 11 O SER A 2 8.248 1.625 -11.986 1.00 0.00 O ATOM 12 CB SER A 2 5.099 1.446 -12.945 1.00 0.00 C ATOM 13 OG SER A 2 4.438 2.690 -12.797 1.00 0.00 O ATOM 0 H SER A 2 6.841 -0.427 -13.388 1.00 0.00 H new ATOM 0 HA SER A 2 6.365 2.268 -14.475 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.488 0.776 -13.549 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.218 0.976 -11.969 1.00 0.00 H new ATOM 0 HG SER A 2 3.564 2.548 -12.377 1.00 0.00 H new ATOM 19 N SER A 3 7.328 3.611 -12.505 1.00 0.00 N ATOM 20 CA SER A 3 8.190 4.370 -11.606 1.00 0.00 C ATOM 21 C SER A 3 7.678 5.797 -11.438 1.00 0.00 C ATOM 22 O SER A 3 7.101 6.374 -12.358 1.00 0.00 O ATOM 23 CB SER A 3 9.624 4.390 -12.137 1.00 0.00 C ATOM 24 OG SER A 3 9.769 5.340 -13.178 1.00 0.00 O ATOM 0 H SER A 3 6.655 4.177 -13.022 1.00 0.00 H new ATOM 0 HA SER A 3 8.177 3.881 -10.632 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.312 4.627 -11.326 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.893 3.400 -12.504 1.00 0.00 H new ATOM 0 HG SER A 3 10.695 5.335 -13.499 1.00 0.00 H new ATOM 30 N GLY A 4 7.894 6.361 -10.253 1.00 0.00 N ATOM 31 CA GLY A 4 7.449 7.716 -9.984 1.00 0.00 C ATOM 32 C GLY A 4 8.194 8.352 -8.828 1.00 0.00 C ATOM 33 O GLY A 4 8.142 7.860 -7.701 1.00 0.00 O ATOM 0 H GLY A 4 8.369 5.904 -9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.585 8.324 -10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.382 7.708 -9.764 1.00 0.00 H new ATOM 37 N SER A 5 8.891 9.449 -9.107 1.00 0.00 N ATOM 38 CA SER A 5 9.655 10.151 -8.083 1.00 0.00 C ATOM 39 C SER A 5 8.738 10.663 -6.976 1.00 0.00 C ATOM 40 O SER A 5 8.922 10.341 -5.803 1.00 0.00 O ATOM 41 CB SER A 5 10.427 11.317 -8.702 1.00 0.00 C ATOM 42 OG SER A 5 11.625 10.869 -9.313 1.00 0.00 O ATOM 0 H SER A 5 8.942 9.871 -10.034 1.00 0.00 H new ATOM 0 HA SER A 5 10.364 9.447 -7.647 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.803 11.818 -9.442 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.661 12.052 -7.932 1.00 0.00 H new ATOM 0 HG SER A 5 12.099 11.633 -9.703 1.00 0.00 H new ATOM 48 N SER A 6 7.748 11.463 -7.360 1.00 0.00 N ATOM 49 CA SER A 6 6.804 12.024 -6.401 1.00 0.00 C ATOM 50 C SER A 6 5.905 10.935 -5.823 1.00 0.00 C ATOM 51 O SER A 6 5.301 10.157 -6.560 1.00 0.00 O ATOM 52 CB SER A 6 5.950 13.105 -7.067 1.00 0.00 C ATOM 53 OG SER A 6 5.349 13.948 -6.100 1.00 0.00 O ATOM 0 H SER A 6 7.579 11.737 -8.328 1.00 0.00 H new ATOM 0 HA SER A 6 7.374 12.471 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.569 13.700 -7.738 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.177 12.638 -7.677 1.00 0.00 H new ATOM 0 HG SER A 6 4.810 14.631 -6.551 1.00 0.00 H new ATOM 59 N GLY A 7 5.823 10.887 -4.497 1.00 0.00 N ATOM 60 CA GLY A 7 4.997 9.890 -3.841 1.00 0.00 C ATOM 61 C GLY A 7 4.457 10.370 -2.509 1.00 0.00 C ATOM 62 O GLY A 7 4.782 11.469 -2.059 1.00 0.00 O ATOM 0 H GLY A 7 6.313 11.520 -3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.164 9.626 -4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.581 8.983 -3.687 1.00 0.00 H new ATOM 66 N MET A 8 3.627 9.547 -1.877 1.00 0.00 N ATOM 67 CA MET A 8 3.040 9.895 -0.588 1.00 0.00 C ATOM 68 C MET A 8 3.245 8.771 0.424 1.00 0.00 C ATOM 69 O MET A 8 3.219 7.593 0.069 1.00 0.00 O ATOM 70 CB MET A 8 1.547 10.189 -0.746 1.00 0.00 C ATOM 71 CG MET A 8 1.254 11.374 -1.652 1.00 0.00 C ATOM 72 SD MET A 8 -0.415 12.020 -1.431 1.00 0.00 S ATOM 73 CE MET A 8 -0.916 12.251 -3.135 1.00 0.00 C ATOM 0 H MET A 8 3.346 8.635 -2.236 1.00 0.00 H new ATOM 0 HA MET A 8 3.542 10.789 -0.218 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.051 9.305 -1.146 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.116 10.378 0.237 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.976 12.166 -1.453 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.389 11.074 -2.691 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.870 12.777 -3.166 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.161 12.837 -3.660 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.022 11.280 -3.618 1.00 0.00 H new ATOM 83 N GLU A 9 3.448 9.145 1.683 1.00 0.00 N ATOM 84 CA GLU A 9 3.658 8.167 2.745 1.00 0.00 C ATOM 85 C GLU A 9 2.326 7.656 3.285 1.00 0.00 C ATOM 86 O GLU A 9 1.539 8.418 3.851 1.00 0.00 O ATOM 87 CB GLU A 9 4.479 8.782 3.880 1.00 0.00 C ATOM 88 CG GLU A 9 5.951 8.954 3.542 1.00 0.00 C ATOM 89 CD GLU A 9 6.792 9.297 4.757 1.00 0.00 C ATOM 90 OE1 GLU A 9 6.229 9.834 5.734 1.00 0.00 O ATOM 91 OE2 GLU A 9 8.011 9.029 4.730 1.00 0.00 O ATOM 0 H GLU A 9 3.472 10.117 1.993 1.00 0.00 H new ATOM 0 HA GLU A 9 4.207 7.324 2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.058 9.754 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.389 8.152 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.327 8.035 3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.059 9.741 2.796 1.00 0.00 H new ATOM 98 N LEU A 10 2.078 6.363 3.107 1.00 0.00 N ATOM 99 CA LEU A 10 0.841 5.749 3.576 1.00 0.00 C ATOM 100 C LEU A 10 1.075 4.968 4.866 1.00 0.00 C ATOM 101 O LEU A 10 1.830 3.996 4.887 1.00 0.00 O ATOM 102 CB LEU A 10 0.269 4.823 2.502 1.00 0.00 C ATOM 103 CG LEU A 10 -1.220 4.495 2.621 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.062 5.730 2.344 1.00 0.00 C ATOM 105 CD2 LEU A 10 -1.595 3.367 1.671 1.00 0.00 C ATOM 0 H LEU A 10 2.718 5.719 2.641 1.00 0.00 H new ATOM 0 HA LEU A 10 0.124 6.544 3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.443 5.279 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.829 3.888 2.521 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.420 4.166 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.119 5.478 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.813 6.509 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.859 6.090 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.658 3.147 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.380 3.668 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.016 2.477 1.917 1.00 0.00 H new ATOM 117 N LYS A 11 0.422 5.399 5.939 1.00 0.00 N ATOM 118 CA LYS A 11 0.555 4.740 7.233 1.00 0.00 C ATOM 119 C LYS A 11 -0.300 3.478 7.290 1.00 0.00 C ATOM 120 O LYS A 11 -1.526 3.549 7.364 1.00 0.00 O ATOM 121 CB LYS A 11 0.151 5.694 8.359 1.00 0.00 C ATOM 122 CG LYS A 11 0.994 6.956 8.418 1.00 0.00 C ATOM 123 CD LYS A 11 2.245 6.752 9.255 1.00 0.00 C ATOM 124 CE LYS A 11 2.998 8.058 9.459 1.00 0.00 C ATOM 125 NZ LYS A 11 4.127 7.904 10.417 1.00 0.00 N ATOM 0 H LYS A 11 -0.206 6.203 5.938 1.00 0.00 H new ATOM 0 HA LYS A 11 1.600 4.457 7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.895 5.972 8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.228 5.171 9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.275 7.254 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.403 7.770 8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.972 6.333 10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.897 6.027 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.380 8.410 8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.311 8.820 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.463 8.843 10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.804 7.374 11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.904 7.387 9.958 1.00 0.00 H new ATOM 139 N VAL A 12 0.357 2.322 7.258 1.00 0.00 N ATOM 140 CA VAL A 12 -0.343 1.044 7.309 1.00 0.00 C ATOM 141 C VAL A 12 0.338 0.083 8.277 1.00 0.00 C ATOM 142 O VAL A 12 1.550 -0.125 8.211 1.00 0.00 O ATOM 143 CB VAL A 12 -0.416 0.388 5.917 1.00 0.00 C ATOM 144 CG1 VAL A 12 -1.430 -0.746 5.914 1.00 0.00 C ATOM 145 CG2 VAL A 12 -0.759 1.424 4.858 1.00 0.00 C ATOM 0 H VAL A 12 1.372 2.245 7.197 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.355 1.251 7.658 1.00 0.00 H new ATOM 0 HB VAL A 12 0.562 -0.031 5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.468 -1.198 4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.136 -1.499 6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.414 -0.355 6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.806 0.943 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.725 1.874 5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.008 2.198 4.845 1.00 0.00 H new ATOM 155 N TRP A 13 -0.449 -0.501 9.173 1.00 0.00 N ATOM 156 CA TRP A 13 0.079 -1.441 10.156 1.00 0.00 C ATOM 157 C TRP A 13 0.479 -2.754 9.492 1.00 0.00 C ATOM 158 O TRP A 13 -0.363 -3.468 8.948 1.00 0.00 O ATOM 159 CB TRP A 13 -0.958 -1.704 11.249 1.00 0.00 C ATOM 160 CG TRP A 13 -1.129 -0.553 12.194 1.00 0.00 C ATOM 161 CD1 TRP A 13 -2.171 0.329 12.230 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.231 -0.159 13.237 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.975 1.248 13.233 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.792 0.969 13.866 1.00 0.00 C ATOM 165 CE3 TRP A 13 0.992 -0.651 13.702 1.00 0.00 C ATOM 166 CZ2 TRP A 13 -0.170 1.612 14.933 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.607 -0.013 14.761 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.026 1.108 15.368 1.00 0.00 C ATOM 0 H TRP A 13 -1.454 -0.341 9.240 1.00 0.00 H new ATOM 0 HA TRP A 13 0.967 -0.997 10.606 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.918 -1.928 10.783 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.664 -2.588 11.814 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.024 0.308 11.568 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.607 2.013 13.468 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.448 -1.515 13.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.615 2.478 15.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.552 -0.385 15.128 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.532 1.584 16.195 1.00 0.00 H new ATOM 179 N VAL A 14 1.770 -3.067 9.540 1.00 0.00 N ATOM 180 CA VAL A 14 2.282 -4.296 8.944 1.00 0.00 C ATOM 181 C VAL A 14 3.040 -5.130 9.970 1.00 0.00 C ATOM 182 O VAL A 14 4.154 -4.786 10.365 1.00 0.00 O ATOM 183 CB VAL A 14 3.212 -3.997 7.753 1.00 0.00 C ATOM 184 CG1 VAL A 14 3.719 -5.290 7.134 1.00 0.00 C ATOM 185 CG2 VAL A 14 2.494 -3.145 6.717 1.00 0.00 C ATOM 0 H VAL A 14 2.481 -2.487 9.985 1.00 0.00 H new ATOM 0 HA VAL A 14 1.419 -4.859 8.589 1.00 0.00 H new ATOM 0 HB VAL A 14 4.072 -3.436 8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.374 -5.059 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.273 -5.858 7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.873 -5.881 6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.166 -2.943 5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.615 -3.677 6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.186 -2.203 7.171 1.00 0.00 H new ATOM 195 N ASP A 15 2.429 -6.229 10.398 1.00 0.00 N ATOM 196 CA ASP A 15 3.046 -7.115 11.378 1.00 0.00 C ATOM 197 C ASP A 15 3.171 -6.424 12.733 1.00 0.00 C ATOM 198 O ASP A 15 4.140 -6.635 13.461 1.00 0.00 O ATOM 199 CB ASP A 15 4.425 -7.566 10.893 1.00 0.00 C ATOM 200 CG ASP A 15 4.383 -8.156 9.497 1.00 0.00 C ATOM 201 OD1 ASP A 15 3.515 -9.018 9.243 1.00 0.00 O ATOM 202 OD2 ASP A 15 5.217 -7.756 8.659 1.00 0.00 O ATOM 0 H ASP A 15 1.507 -6.528 10.082 1.00 0.00 H new ATOM 0 HA ASP A 15 2.406 -7.990 11.494 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.107 -6.716 10.905 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.826 -8.306 11.585 1.00 0.00 H new ATOM 207 N GLY A 16 2.183 -5.598 13.063 1.00 0.00 N ATOM 208 CA GLY A 16 2.203 -4.887 14.329 1.00 0.00 C ATOM 209 C GLY A 16 2.997 -3.598 14.258 1.00 0.00 C ATOM 210 O GLY A 16 2.892 -2.747 15.141 1.00 0.00 O ATOM 0 H GLY A 16 1.370 -5.408 12.477 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.180 -4.664 14.633 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.630 -5.531 15.097 1.00 0.00 H new ATOM 214 N VAL A 17 3.796 -3.454 13.206 1.00 0.00 N ATOM 215 CA VAL A 17 4.612 -2.260 13.024 1.00 0.00 C ATOM 216 C VAL A 17 4.177 -1.480 11.788 1.00 0.00 C ATOM 217 O VAL A 17 4.140 -2.020 10.683 1.00 0.00 O ATOM 218 CB VAL A 17 6.105 -2.615 12.893 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.302 -3.731 11.878 1.00 0.00 C ATOM 220 CG2 VAL A 17 6.914 -1.385 12.509 1.00 0.00 C ATOM 0 H VAL A 17 3.896 -4.150 12.467 1.00 0.00 H new ATOM 0 HA VAL A 17 4.469 -1.641 13.910 1.00 0.00 H new ATOM 0 HB VAL A 17 6.462 -2.969 13.860 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.363 -3.968 11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.755 -4.617 12.201 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.929 -3.409 10.906 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.966 -1.655 12.421 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.557 -0.998 11.554 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.799 -0.619 13.276 1.00 0.00 H new ATOM 230 N GLN A 18 3.849 -0.207 11.984 1.00 0.00 N ATOM 231 CA GLN A 18 3.416 0.648 10.885 1.00 0.00 C ATOM 232 C GLN A 18 4.563 0.911 9.916 1.00 0.00 C ATOM 233 O GLN A 18 5.526 1.600 10.252 1.00 0.00 O ATOM 234 CB GLN A 18 2.873 1.973 11.425 1.00 0.00 C ATOM 235 CG GLN A 18 1.850 2.628 10.512 1.00 0.00 C ATOM 236 CD GLN A 18 0.882 3.520 11.265 1.00 0.00 C ATOM 237 OE1 GLN A 18 1.290 4.462 11.945 1.00 0.00 O ATOM 238 NE2 GLN A 18 -0.407 3.227 11.147 1.00 0.00 N ATOM 0 H GLN A 18 3.875 0.255 12.893 1.00 0.00 H new ATOM 0 HA GLN A 18 2.622 0.131 10.347 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.419 1.799 12.400 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.704 2.661 11.578 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.368 3.218 9.756 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.291 1.855 9.985 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.700 2.437 10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.105 3.792 11.631 1.00 0.00 H new ATOM 247 N ARG A 19 4.453 0.358 8.712 1.00 0.00 N ATOM 248 CA ARG A 19 5.482 0.533 7.695 1.00 0.00 C ATOM 249 C ARG A 19 5.078 1.609 6.691 1.00 0.00 C ATOM 250 O ARG A 19 3.978 1.574 6.139 1.00 0.00 O ATOM 251 CB ARG A 19 5.739 -0.788 6.967 1.00 0.00 C ATOM 252 CG ARG A 19 6.779 -1.665 7.644 1.00 0.00 C ATOM 253 CD ARG A 19 7.296 -2.743 6.704 1.00 0.00 C ATOM 254 NE ARG A 19 8.280 -3.608 7.351 1.00 0.00 N ATOM 255 CZ ARG A 19 9.573 -3.315 7.433 1.00 0.00 C ATOM 256 NH1 ARG A 19 10.035 -2.187 6.913 1.00 0.00 N ATOM 257 NH2 ARG A 19 10.406 -4.153 8.038 1.00 0.00 N ATOM 0 H ARG A 19 3.662 -0.215 8.418 1.00 0.00 H new ATOM 0 HA ARG A 19 6.398 0.851 8.192 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.802 -1.341 6.894 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.064 -0.574 5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.611 -1.048 7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.344 -2.130 8.529 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.460 -3.346 6.350 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.745 -2.275 5.828 1.00 0.00 H new ATOM 0 HE ARG A 19 7.957 -4.484 7.762 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.397 -1.541 6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.028 -1.965 6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.053 -5.022 8.440 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.399 -3.928 8.101 1.00 0.00 H new ATOM 271 N ILE A 20 5.974 2.562 6.461 1.00 0.00 N ATOM 272 CA ILE A 20 5.711 3.647 5.524 1.00 0.00 C ATOM 273 C ILE A 20 5.955 3.203 4.086 1.00 0.00 C ATOM 274 O ILE A 20 6.823 2.372 3.820 1.00 0.00 O ATOM 275 CB ILE A 20 6.588 4.877 5.825 1.00 0.00 C ATOM 276 CG1 ILE A 20 6.486 5.252 7.305 1.00 0.00 C ATOM 277 CG2 ILE A 20 6.177 6.049 4.946 1.00 0.00 C ATOM 278 CD1 ILE A 20 5.071 5.230 7.838 1.00 0.00 C ATOM 0 H ILE A 20 6.889 2.605 6.911 1.00 0.00 H new ATOM 0 HA ILE A 20 4.663 3.920 5.645 1.00 0.00 H new ATOM 0 HB ILE A 20 7.626 4.629 5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.096 4.563 7.889 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.904 6.248 7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.806 6.910 5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.296 5.777 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.134 6.301 5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.075 5.506 8.892 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.461 5.940 7.280 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.656 4.228 7.727 1.00 0.00 H new ATOM 290 N VAL A 21 5.183 3.764 3.160 1.00 0.00 N ATOM 291 CA VAL A 21 5.317 3.428 1.747 1.00 0.00 C ATOM 292 C VAL A 21 5.444 4.685 0.893 1.00 0.00 C ATOM 293 O VAL A 21 4.518 5.493 0.818 1.00 0.00 O ATOM 294 CB VAL A 21 4.115 2.602 1.250 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.234 2.331 -0.242 1.00 0.00 C ATOM 296 CG2 VAL A 21 4.004 1.301 2.030 1.00 0.00 C ATOM 0 H VAL A 21 4.459 4.453 3.363 1.00 0.00 H new ATOM 0 HA VAL A 21 6.224 2.832 1.648 1.00 0.00 H new ATOM 0 HB VAL A 21 3.205 3.178 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.376 1.747 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.260 3.277 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.151 1.775 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.150 0.730 1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.915 0.717 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.868 1.522 3.089 1.00 0.00 H new ATOM 306 N CYS A 22 6.596 4.843 0.251 1.00 0.00 N ATOM 307 CA CYS A 22 6.845 6.002 -0.598 1.00 0.00 C ATOM 308 C CYS A 22 6.571 5.673 -2.062 1.00 0.00 C ATOM 309 O CYS A 22 6.953 4.610 -2.552 1.00 0.00 O ATOM 310 CB CYS A 22 8.288 6.481 -0.432 1.00 0.00 C ATOM 311 SG CYS A 22 9.528 5.312 -1.034 1.00 0.00 S ATOM 0 H CYS A 22 7.372 4.183 0.302 1.00 0.00 H new ATOM 0 HA CYS A 22 6.167 6.799 -0.291 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.409 7.426 -0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.474 6.680 0.623 1.00 0.00 H new ATOM 0 HG CYS A 22 8.995 4.537 -1.931 1.00 0.00 H new ATOM 317 N GLY A 23 5.905 6.591 -2.755 1.00 0.00 N ATOM 318 CA GLY A 23 5.590 6.378 -4.156 1.00 0.00 C ATOM 319 C GLY A 23 4.098 6.409 -4.425 1.00 0.00 C ATOM 320 O GLY A 23 3.659 6.876 -5.476 1.00 0.00 O ATOM 0 H GLY A 23 5.578 7.478 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.081 7.144 -4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.994 5.417 -4.474 1.00 0.00 H new ATOM 324 N VAL A 24 3.316 5.908 -3.474 1.00 0.00 N ATOM 325 CA VAL A 24 1.865 5.879 -3.614 1.00 0.00 C ATOM 326 C VAL A 24 1.305 7.282 -3.819 1.00 0.00 C ATOM 327 O VAL A 24 1.698 8.226 -3.133 1.00 0.00 O ATOM 328 CB VAL A 24 1.195 5.245 -2.380 1.00 0.00 C ATOM 329 CG1 VAL A 24 -0.315 5.199 -2.557 1.00 0.00 C ATOM 330 CG2 VAL A 24 1.753 3.853 -2.127 1.00 0.00 C ATOM 0 H VAL A 24 3.663 5.517 -2.598 1.00 0.00 H new ATOM 0 HA VAL A 24 1.643 5.271 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 24 1.416 5.864 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.771 4.748 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.697 6.212 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.560 4.604 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.268 3.420 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.564 3.222 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.827 3.918 -1.952 1.00 0.00 H new ATOM 340 N THR A 25 0.382 7.412 -4.768 1.00 0.00 N ATOM 341 CA THR A 25 -0.232 8.699 -5.064 1.00 0.00 C ATOM 342 C THR A 25 -1.726 8.547 -5.331 1.00 0.00 C ATOM 343 O THR A 25 -2.214 7.441 -5.562 1.00 0.00 O ATOM 344 CB THR A 25 0.429 9.370 -6.283 1.00 0.00 C ATOM 345 OG1 THR A 25 0.384 8.490 -7.411 1.00 0.00 O ATOM 346 CG2 THR A 25 1.873 9.740 -5.979 1.00 0.00 C ATOM 0 H THR A 25 0.044 6.641 -5.344 1.00 0.00 H new ATOM 0 HA THR A 25 -0.084 9.329 -4.187 1.00 0.00 H new ATOM 0 HB THR A 25 -0.123 10.282 -6.512 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.805 8.925 -8.182 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.320 10.212 -6.854 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.902 10.433 -5.138 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.434 8.840 -5.727 1.00 0.00 H new ATOM 354 N GLU A 26 -2.445 9.664 -5.298 1.00 0.00 N ATOM 355 CA GLU A 26 -3.884 9.653 -5.536 1.00 0.00 C ATOM 356 C GLU A 26 -4.249 8.634 -6.611 1.00 0.00 C ATOM 357 O GLU A 26 -5.201 7.868 -6.458 1.00 0.00 O ATOM 358 CB GLU A 26 -4.365 11.045 -5.952 1.00 0.00 C ATOM 359 CG GLU A 26 -4.024 12.133 -4.948 1.00 0.00 C ATOM 360 CD GLU A 26 -5.019 13.277 -4.967 1.00 0.00 C ATOM 361 OE1 GLU A 26 -5.078 13.995 -5.987 1.00 0.00 O ATOM 362 OE2 GLU A 26 -5.738 13.454 -3.962 1.00 0.00 O ATOM 0 H GLU A 26 -2.055 10.588 -5.109 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.378 9.368 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.923 11.300 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.445 11.019 -6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.991 11.702 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.027 12.520 -5.161 1.00 0.00 H new ATOM 369 N VAL A 27 -3.486 8.631 -7.699 1.00 0.00 N ATOM 370 CA VAL A 27 -3.729 7.706 -8.800 1.00 0.00 C ATOM 371 C VAL A 27 -3.593 6.258 -8.342 1.00 0.00 C ATOM 372 O VAL A 27 -4.497 5.445 -8.539 1.00 0.00 O ATOM 373 CB VAL A 27 -2.756 7.956 -9.968 1.00 0.00 C ATOM 374 CG1 VAL A 27 -3.062 7.021 -11.128 1.00 0.00 C ATOM 375 CG2 VAL A 27 -2.820 9.410 -10.412 1.00 0.00 C ATOM 0 H VAL A 27 -2.695 9.258 -7.842 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.749 7.882 -9.142 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.742 7.749 -9.625 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.365 7.213 -11.943 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.960 5.987 -10.799 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.081 7.193 -11.474 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.126 9.569 -11.238 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.833 9.647 -10.738 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.547 10.057 -9.579 1.00 0.00 H new ATOM 385 N THR A 28 -2.458 5.942 -7.727 1.00 0.00 N ATOM 386 CA THR A 28 -2.203 4.592 -7.240 1.00 0.00 C ATOM 387 C THR A 28 -3.397 4.055 -6.458 1.00 0.00 C ATOM 388 O THR A 28 -3.727 4.559 -5.384 1.00 0.00 O ATOM 389 CB THR A 28 -0.953 4.545 -6.342 1.00 0.00 C ATOM 390 OG1 THR A 28 0.178 5.067 -7.049 1.00 0.00 O ATOM 391 CG2 THR A 28 -0.662 3.121 -5.892 1.00 0.00 C ATOM 0 H THR A 28 -1.700 6.603 -7.554 1.00 0.00 H new ATOM 0 HA THR A 28 -2.035 3.967 -8.117 1.00 0.00 H new ATOM 0 HB THR A 28 -1.144 5.156 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.994 4.891 -6.536 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.225 3.114 -5.259 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.512 2.736 -5.329 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.490 2.491 -6.765 1.00 0.00 H new ATOM 399 N THR A 29 -4.041 3.027 -7.002 1.00 0.00 N ATOM 400 CA THR A 29 -5.199 2.422 -6.355 1.00 0.00 C ATOM 401 C THR A 29 -4.778 1.555 -5.174 1.00 0.00 C ATOM 402 O THR A 29 -3.587 1.392 -4.905 1.00 0.00 O ATOM 403 CB THR A 29 -6.010 1.564 -7.344 1.00 0.00 C ATOM 404 OG1 THR A 29 -5.193 0.507 -7.861 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.536 2.413 -8.492 1.00 0.00 C ATOM 0 H THR A 29 -3.780 2.596 -7.889 1.00 0.00 H new ATOM 0 HA THR A 29 -5.825 3.240 -5.997 1.00 0.00 H new ATOM 0 HB THR A 29 -6.859 1.138 -6.809 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.717 -0.035 -8.488 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.105 1.785 -9.177 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.181 3.198 -8.098 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.699 2.864 -9.024 1.00 0.00 H new ATOM 413 N CYS A 30 -5.760 1.001 -4.474 1.00 0.00 N ATOM 414 CA CYS A 30 -5.491 0.149 -3.320 1.00 0.00 C ATOM 415 C CYS A 30 -4.760 -1.122 -3.741 1.00 0.00 C ATOM 416 O CYS A 30 -3.815 -1.552 -3.081 1.00 0.00 O ATOM 417 CB CYS A 30 -6.797 -0.211 -2.610 1.00 0.00 C ATOM 418 SG CYS A 30 -7.327 1.004 -1.380 1.00 0.00 S ATOM 0 H CYS A 30 -6.750 1.126 -4.684 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.852 0.703 -2.632 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.584 -0.325 -3.355 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.678 -1.178 -2.122 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.103 1.882 -1.943 1.00 0.00 H new ATOM 424 N GLN A 31 -5.206 -1.717 -4.843 1.00 0.00 N ATOM 425 CA GLN A 31 -4.595 -2.940 -5.350 1.00 0.00 C ATOM 426 C GLN A 31 -3.094 -2.757 -5.548 1.00 0.00 C ATOM 427 O GLN A 31 -2.312 -3.679 -5.317 1.00 0.00 O ATOM 428 CB GLN A 31 -5.248 -3.352 -6.670 1.00 0.00 C ATOM 429 CG GLN A 31 -4.681 -4.635 -7.256 1.00 0.00 C ATOM 430 CD GLN A 31 -5.455 -5.116 -8.467 1.00 0.00 C ATOM 431 OE1 GLN A 31 -6.263 -4.380 -9.034 1.00 0.00 O ATOM 432 NE2 GLN A 31 -5.213 -6.358 -8.869 1.00 0.00 N ATOM 0 H GLN A 31 -5.987 -1.372 -5.401 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.753 -3.727 -4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.319 -3.477 -6.512 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.124 -2.546 -7.394 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.640 -4.473 -7.536 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.688 -5.413 -6.492 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.535 -6.933 -8.369 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.705 -6.737 -9.678 1.00 0.00 H new ATOM 441 N GLU A 32 -2.699 -1.562 -5.975 1.00 0.00 N ATOM 442 CA GLU A 32 -1.291 -1.260 -6.205 1.00 0.00 C ATOM 443 C GLU A 32 -0.539 -1.134 -4.883 1.00 0.00 C ATOM 444 O GLU A 32 0.671 -1.350 -4.821 1.00 0.00 O ATOM 445 CB GLU A 32 -1.148 0.033 -7.011 1.00 0.00 C ATOM 446 CG GLU A 32 -1.258 -0.171 -8.512 1.00 0.00 C ATOM 447 CD GLU A 32 -0.777 1.032 -9.301 1.00 0.00 C ATOM 448 OE1 GLU A 32 0.453 1.219 -9.405 1.00 0.00 O ATOM 449 OE2 GLU A 32 -1.631 1.785 -9.813 1.00 0.00 O ATOM 0 H GLU A 32 -3.334 -0.787 -6.169 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.858 -2.083 -6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.916 0.737 -6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.184 0.488 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.675 -1.046 -8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.296 -0.380 -8.771 1.00 0.00 H new ATOM 456 N VAL A 33 -1.266 -0.781 -3.827 1.00 0.00 N ATOM 457 CA VAL A 33 -0.670 -0.626 -2.505 1.00 0.00 C ATOM 458 C VAL A 33 -0.621 -1.958 -1.765 1.00 0.00 C ATOM 459 O VAL A 33 0.452 -2.437 -1.397 1.00 0.00 O ATOM 460 CB VAL A 33 -1.449 0.394 -1.654 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.832 0.515 -0.269 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.489 1.746 -2.349 1.00 0.00 C ATOM 0 H VAL A 33 -2.269 -0.597 -3.862 1.00 0.00 H new ATOM 0 HA VAL A 33 0.346 -0.260 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.473 0.040 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.395 1.240 0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.860 -0.455 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.202 0.847 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.043 2.455 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.472 2.110 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.980 1.643 -3.317 1.00 0.00 H new ATOM 472 N VAL A 34 -1.790 -2.552 -1.549 1.00 0.00 N ATOM 473 CA VAL A 34 -1.881 -3.830 -0.853 1.00 0.00 C ATOM 474 C VAL A 34 -0.818 -4.803 -1.350 1.00 0.00 C ATOM 475 O VAL A 34 -0.273 -5.590 -0.576 1.00 0.00 O ATOM 476 CB VAL A 34 -3.271 -4.469 -1.033 1.00 0.00 C ATOM 477 CG1 VAL A 34 -3.652 -4.514 -2.505 1.00 0.00 C ATOM 478 CG2 VAL A 34 -3.299 -5.863 -0.424 1.00 0.00 C ATOM 0 H VAL A 34 -2.687 -2.169 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.717 -3.627 0.205 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.004 -3.854 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.637 -4.969 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.674 -3.501 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.918 -5.105 -3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.288 -6.300 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.555 -6.490 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.074 -5.800 0.641 1.00 0.00 H new ATOM 488 N ILE A 35 -0.529 -4.744 -2.645 1.00 0.00 N ATOM 489 CA ILE A 35 0.470 -5.619 -3.245 1.00 0.00 C ATOM 490 C ILE A 35 1.881 -5.105 -2.980 1.00 0.00 C ATOM 491 O ILE A 35 2.784 -5.878 -2.658 1.00 0.00 O ATOM 492 CB ILE A 35 0.262 -5.752 -4.765 1.00 0.00 C ATOM 493 CG1 ILE A 35 -1.130 -6.313 -5.064 1.00 0.00 C ATOM 494 CG2 ILE A 35 1.338 -6.641 -5.371 1.00 0.00 C ATOM 495 CD1 ILE A 35 -1.510 -6.239 -6.527 1.00 0.00 C ATOM 0 H ILE A 35 -0.973 -4.099 -3.299 1.00 0.00 H new ATOM 0 HA ILE A 35 0.349 -6.599 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 35 0.339 -4.762 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.172 -7.352 -4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.867 -5.765 -4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.177 -6.725 -6.446 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.319 -6.204 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.289 -7.631 -4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.508 -6.654 -6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.501 -5.199 -6.853 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.795 -6.811 -7.118 1.00 0.00 H new ATOM 507 N ALA A 36 2.064 -3.796 -3.115 1.00 0.00 N ATOM 508 CA ALA A 36 3.364 -3.178 -2.886 1.00 0.00 C ATOM 509 C ALA A 36 3.947 -3.606 -1.543 1.00 0.00 C ATOM 510 O ALA A 36 5.118 -3.977 -1.453 1.00 0.00 O ATOM 511 CB ALA A 36 3.247 -1.663 -2.953 1.00 0.00 C ATOM 0 H ALA A 36 1.328 -3.142 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 36 4.042 -3.515 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.225 -1.215 -2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.882 -1.369 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.550 -1.318 -2.190 1.00 0.00 H new ATOM 517 N LEU A 37 3.123 -3.553 -0.502 1.00 0.00 N ATOM 518 CA LEU A 37 3.557 -3.935 0.837 1.00 0.00 C ATOM 519 C LEU A 37 3.956 -5.407 0.881 1.00 0.00 C ATOM 520 O LEU A 37 5.081 -5.745 1.249 1.00 0.00 O ATOM 521 CB LEU A 37 2.444 -3.666 1.851 1.00 0.00 C ATOM 522 CG LEU A 37 2.128 -2.196 2.127 1.00 0.00 C ATOM 523 CD1 LEU A 37 0.861 -2.069 2.959 1.00 0.00 C ATOM 524 CD2 LEU A 37 3.298 -1.522 2.828 1.00 0.00 C ATOM 0 H LEU A 37 2.151 -3.249 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 37 4.429 -3.334 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.534 -4.153 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.716 -4.142 2.793 1.00 0.00 H new ATOM 0 HG LEU A 37 1.963 -1.694 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.652 -1.016 3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.025 -2.515 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.996 -2.586 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.056 -0.476 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.494 -2.026 3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.184 -1.581 2.196 1.00 0.00 H new ATOM 536 N ALA A 38 3.027 -6.278 0.501 1.00 0.00 N ATOM 537 CA ALA A 38 3.283 -7.713 0.493 1.00 0.00 C ATOM 538 C ALA A 38 4.601 -8.032 -0.206 1.00 0.00 C ATOM 539 O ALA A 38 5.340 -8.918 0.219 1.00 0.00 O ATOM 540 CB ALA A 38 2.135 -8.450 -0.180 1.00 0.00 C ATOM 0 H ALA A 38 2.090 -6.015 0.195 1.00 0.00 H new ATOM 0 HA ALA A 38 3.360 -8.049 1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.340 -9.521 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.210 -8.257 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.032 -8.101 -1.208 1.00 0.00 H new ATOM 546 N GLN A 39 4.886 -7.303 -1.281 1.00 0.00 N ATOM 547 CA GLN A 39 6.114 -7.510 -2.039 1.00 0.00 C ATOM 548 C GLN A 39 7.323 -6.979 -1.274 1.00 0.00 C ATOM 549 O GLN A 39 8.408 -7.556 -1.331 1.00 0.00 O ATOM 550 CB GLN A 39 6.018 -6.825 -3.403 1.00 0.00 C ATOM 551 CG GLN A 39 5.423 -7.709 -4.487 1.00 0.00 C ATOM 552 CD GLN A 39 6.469 -8.549 -5.194 1.00 0.00 C ATOM 553 OE1 GLN A 39 6.659 -9.723 -4.874 1.00 0.00 O ATOM 554 NE2 GLN A 39 7.153 -7.951 -6.162 1.00 0.00 N ATOM 0 H GLN A 39 4.284 -6.565 -1.646 1.00 0.00 H new ATOM 0 HA GLN A 39 6.243 -8.582 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.411 -5.925 -3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.014 -6.507 -3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.674 -8.365 -4.045 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.909 -7.085 -5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.962 -6.976 -6.394 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.869 -8.466 -6.674 1.00 0.00 H new ATOM 563 N ALA A 40 7.126 -5.876 -0.560 1.00 0.00 N ATOM 564 CA ALA A 40 8.199 -5.268 0.218 1.00 0.00 C ATOM 565 C ALA A 40 8.597 -6.156 1.392 1.00 0.00 C ATOM 566 O ALA A 40 9.782 -6.358 1.656 1.00 0.00 O ATOM 567 CB ALA A 40 7.778 -3.892 0.713 1.00 0.00 C ATOM 0 H ALA A 40 6.234 -5.385 -0.504 1.00 0.00 H new ATOM 0 HA ALA A 40 9.068 -5.158 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.589 -3.450 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.551 -3.252 -0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.893 -3.987 1.342 1.00 0.00 H new ATOM 573 N ILE A 41 7.599 -6.683 2.094 1.00 0.00 N ATOM 574 CA ILE A 41 7.846 -7.549 3.240 1.00 0.00 C ATOM 575 C ILE A 41 8.375 -8.909 2.797 1.00 0.00 C ATOM 576 O ILE A 41 9.078 -9.587 3.545 1.00 0.00 O ATOM 577 CB ILE A 41 6.569 -7.755 4.076 1.00 0.00 C ATOM 578 CG1 ILE A 41 5.453 -8.339 3.207 1.00 0.00 C ATOM 579 CG2 ILE A 41 6.127 -6.440 4.701 1.00 0.00 C ATOM 580 CD1 ILE A 41 4.358 -9.015 4.002 1.00 0.00 C ATOM 0 H ILE A 41 6.612 -6.525 1.889 1.00 0.00 H new ATOM 0 HA ILE A 41 8.597 -7.052 3.855 1.00 0.00 H new ATOM 0 HB ILE A 41 6.787 -8.461 4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.015 -7.541 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.884 -9.060 2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.223 -6.602 5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.918 -6.061 5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.923 -5.714 3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.602 -9.405 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.782 -9.835 4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.900 -8.293 4.678 1.00 0.00 H new ATOM 592 N GLY A 42 8.033 -9.301 1.574 1.00 0.00 N ATOM 593 CA GLY A 42 8.483 -10.578 1.051 1.00 0.00 C ATOM 594 C GLY A 42 7.345 -11.411 0.495 1.00 0.00 C ATOM 595 O GLY A 42 6.866 -11.160 -0.610 1.00 0.00 O ATOM 0 H GLY A 42 7.452 -8.757 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.220 -10.406 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.984 -11.135 1.843 1.00 0.00 H new ATOM 599 N ARG A 43 6.913 -12.407 1.262 1.00 0.00 N ATOM 600 CA ARG A 43 5.826 -13.281 0.839 1.00 0.00 C ATOM 601 C ARG A 43 4.784 -12.505 0.039 1.00 0.00 C ATOM 602 O ARG A 43 4.587 -11.308 0.251 1.00 0.00 O ATOM 603 CB ARG A 43 5.168 -13.937 2.054 1.00 0.00 C ATOM 604 CG ARG A 43 4.616 -12.940 3.060 1.00 0.00 C ATOM 605 CD ARG A 43 4.065 -13.640 4.292 1.00 0.00 C ATOM 606 NE ARG A 43 5.119 -13.989 5.241 1.00 0.00 N ATOM 607 CZ ARG A 43 4.920 -14.744 6.315 1.00 0.00 C ATOM 608 NH1 ARG A 43 3.713 -15.227 6.576 1.00 0.00 N ATOM 609 NH2 ARG A 43 5.929 -15.019 7.131 1.00 0.00 N ATOM 0 H ARG A 43 7.299 -12.628 2.180 1.00 0.00 H new ATOM 0 HA ARG A 43 6.246 -14.057 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.359 -14.583 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.898 -14.576 2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.403 -12.246 3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.828 -12.349 2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.337 -12.993 4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.536 -14.544 3.989 1.00 0.00 H new ATOM 0 HE ARG A 43 6.059 -13.633 5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.934 -15.019 5.951 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.563 -15.807 7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.859 -14.650 6.934 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.774 -15.599 7.956 1.00 0.00 H new ATOM 623 N THR A 44 4.119 -13.195 -0.883 1.00 0.00 N ATOM 624 CA THR A 44 3.098 -12.571 -1.715 1.00 0.00 C ATOM 625 C THR A 44 1.818 -13.397 -1.728 1.00 0.00 C ATOM 626 O THR A 44 1.827 -14.579 -1.386 1.00 0.00 O ATOM 627 CB THR A 44 3.591 -12.386 -3.163 1.00 0.00 C ATOM 628 OG1 THR A 44 3.879 -13.660 -3.749 1.00 0.00 O ATOM 629 CG2 THR A 44 4.834 -11.510 -3.204 1.00 0.00 C ATOM 0 H THR A 44 4.270 -14.186 -1.072 1.00 0.00 H new ATOM 0 HA THR A 44 2.891 -11.593 -1.281 1.00 0.00 H new ATOM 0 HB THR A 44 2.802 -11.895 -3.732 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.190 -13.534 -4.670 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.163 -11.394 -4.237 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.603 -10.531 -2.784 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.628 -11.977 -2.620 1.00 0.00 H new ATOM 637 N GLY A 45 0.716 -12.768 -2.125 1.00 0.00 N ATOM 638 CA GLY A 45 -0.558 -13.461 -2.175 1.00 0.00 C ATOM 639 C GLY A 45 -1.730 -12.512 -2.328 1.00 0.00 C ATOM 640 O GLY A 45 -1.639 -11.514 -3.044 1.00 0.00 O ATOM 0 H GLY A 45 0.683 -11.790 -2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.553 -14.164 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.685 -14.046 -1.264 1.00 0.00 H new ATOM 644 N ARG A 46 -2.833 -12.823 -1.657 1.00 0.00 N ATOM 645 CA ARG A 46 -4.029 -11.992 -1.725 1.00 0.00 C ATOM 646 C ARG A 46 -4.230 -11.221 -0.423 1.00 0.00 C ATOM 647 O ARG A 46 -4.654 -11.786 0.585 1.00 0.00 O ATOM 648 CB ARG A 46 -5.259 -12.853 -2.016 1.00 0.00 C ATOM 649 CG ARG A 46 -5.430 -13.195 -3.487 1.00 0.00 C ATOM 650 CD ARG A 46 -6.248 -14.464 -3.672 1.00 0.00 C ATOM 651 NE ARG A 46 -6.185 -14.960 -5.045 1.00 0.00 N ATOM 652 CZ ARG A 46 -6.853 -14.414 -6.055 1.00 0.00 C ATOM 653 NH1 ARG A 46 -7.630 -13.359 -5.847 1.00 0.00 N ATOM 654 NH2 ARG A 46 -6.744 -14.922 -7.276 1.00 0.00 N ATOM 0 H ARG A 46 -2.924 -13.645 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.897 -11.275 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.189 -13.777 -1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.149 -12.329 -1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.920 -12.367 -4.000 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.451 -13.321 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.883 -15.233 -2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.286 -14.268 -3.404 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.596 -15.770 -5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.715 -12.965 -4.910 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.142 -12.941 -6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.147 -15.733 -7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.257 -14.502 -8.051 1.00 0.00 H new ATOM 668 N TYR A 47 -3.922 -9.929 -0.453 1.00 0.00 N ATOM 669 CA TYR A 47 -4.066 -9.082 0.725 1.00 0.00 C ATOM 670 C TYR A 47 -5.164 -8.043 0.518 1.00 0.00 C ATOM 671 O TYR A 47 -5.714 -7.913 -0.576 1.00 0.00 O ATOM 672 CB TYR A 47 -2.742 -8.385 1.042 1.00 0.00 C ATOM 673 CG TYR A 47 -1.773 -9.250 1.817 1.00 0.00 C ATOM 674 CD1 TYR A 47 -1.940 -9.465 3.179 1.00 0.00 C ATOM 675 CD2 TYR A 47 -0.691 -9.851 1.186 1.00 0.00 C ATOM 676 CE1 TYR A 47 -1.056 -10.253 3.891 1.00 0.00 C ATOM 677 CE2 TYR A 47 0.197 -10.642 1.890 1.00 0.00 C ATOM 678 CZ TYR A 47 0.010 -10.840 3.242 1.00 0.00 C ATOM 679 OH TYR A 47 0.892 -11.626 3.947 1.00 0.00 O ATOM 0 H TYR A 47 -3.571 -9.446 -1.280 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.346 -9.717 1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.272 -8.074 0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.945 -7.480 1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.775 -9.009 3.690 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.541 -9.697 0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.199 -10.408 4.950 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.033 -11.103 1.384 1.00 0.00 H new ATOM 0 HH TYR A 47 1.585 -11.964 3.342 1.00 0.00 H new ATOM 689 N THR A 48 -5.478 -7.304 1.577 1.00 0.00 N ATOM 690 CA THR A 48 -6.510 -6.277 1.514 1.00 0.00 C ATOM 691 C THR A 48 -6.166 -5.096 2.414 1.00 0.00 C ATOM 692 O THR A 48 -5.247 -5.172 3.232 1.00 0.00 O ATOM 693 CB THR A 48 -7.886 -6.836 1.924 1.00 0.00 C ATOM 694 OG1 THR A 48 -8.928 -6.026 1.371 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.021 -6.883 3.438 1.00 0.00 C ATOM 0 H THR A 48 -5.032 -7.398 2.489 1.00 0.00 H new ATOM 0 HA THR A 48 -6.557 -5.940 0.478 1.00 0.00 H new ATOM 0 HB THR A 48 -7.972 -7.851 1.536 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.799 -6.389 1.635 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.000 -7.281 3.704 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.244 -7.525 3.853 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.916 -5.877 3.844 1.00 0.00 H new ATOM 703 N LEU A 49 -6.908 -4.005 2.261 1.00 0.00 N ATOM 704 CA LEU A 49 -6.681 -2.807 3.061 1.00 0.00 C ATOM 705 C LEU A 49 -7.942 -2.416 3.825 1.00 0.00 C ATOM 706 O LEU A 49 -8.937 -2.001 3.229 1.00 0.00 O ATOM 707 CB LEU A 49 -6.234 -1.649 2.167 1.00 0.00 C ATOM 708 CG LEU A 49 -4.729 -1.536 1.918 1.00 0.00 C ATOM 709 CD1 LEU A 49 -4.458 -0.843 0.592 1.00 0.00 C ATOM 710 CD2 LEU A 49 -4.054 -0.790 3.059 1.00 0.00 C ATOM 0 H LEU A 49 -7.672 -3.925 1.590 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.894 -3.026 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.735 -1.745 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.579 -0.717 2.614 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.312 -2.542 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.382 -0.772 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.908 -1.418 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.889 0.158 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.984 -0.719 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.475 0.212 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.218 -1.328 3.993 1.00 0.00 H new ATOM 722 N ILE A 50 -7.893 -2.549 5.146 1.00 0.00 N ATOM 723 CA ILE A 50 -9.030 -2.206 5.991 1.00 0.00 C ATOM 724 C ILE A 50 -8.745 -0.955 6.816 1.00 0.00 C ATOM 725 O ILE A 50 -7.615 -0.730 7.248 1.00 0.00 O ATOM 726 CB ILE A 50 -9.393 -3.362 6.942 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.787 -4.605 6.141 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.522 -2.947 7.874 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.496 -5.904 6.859 1.00 0.00 C ATOM 0 H ILE A 50 -7.078 -2.892 5.654 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.872 -2.015 5.325 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.519 -3.603 7.547 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.851 -4.557 5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.255 -4.598 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.767 -3.775 8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.208 -2.087 8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.401 -2.682 7.286 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.801 -6.742 6.232 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.428 -5.974 7.065 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.049 -5.933 7.798 1.00 0.00 H new ATOM 741 N GLU A 51 -9.778 -0.147 7.031 1.00 0.00 N ATOM 742 CA GLU A 51 -9.638 1.081 7.805 1.00 0.00 C ATOM 743 C GLU A 51 -10.319 0.948 9.164 1.00 0.00 C ATOM 744 O GLU A 51 -11.504 0.625 9.249 1.00 0.00 O ATOM 745 CB GLU A 51 -10.232 2.264 7.038 1.00 0.00 C ATOM 746 CG GLU A 51 -9.326 2.796 5.941 1.00 0.00 C ATOM 747 CD GLU A 51 -10.066 3.666 4.943 1.00 0.00 C ATOM 748 OE1 GLU A 51 -11.141 3.241 4.469 1.00 0.00 O ATOM 749 OE2 GLU A 51 -9.571 4.770 4.637 1.00 0.00 O ATOM 0 H GLU A 51 -10.720 -0.320 6.681 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.575 1.259 7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.182 1.960 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.449 3.069 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.518 3.373 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.867 1.958 5.416 1.00 0.00 H new ATOM 756 N LYS A 52 -9.560 1.198 10.226 1.00 0.00 N ATOM 757 CA LYS A 52 -10.088 1.107 11.582 1.00 0.00 C ATOM 758 C LYS A 52 -10.354 2.495 12.157 1.00 0.00 C ATOM 759 O LYS A 52 -9.452 3.330 12.228 1.00 0.00 O ATOM 760 CB LYS A 52 -9.110 0.349 12.483 1.00 0.00 C ATOM 761 CG LYS A 52 -9.712 -0.081 13.809 1.00 0.00 C ATOM 762 CD LYS A 52 -8.690 -0.790 14.682 1.00 0.00 C ATOM 763 CE LYS A 52 -9.176 -0.918 16.118 1.00 0.00 C ATOM 764 NZ LYS A 52 -9.959 -2.167 16.329 1.00 0.00 N ATOM 0 H LYS A 52 -8.577 1.465 10.173 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.032 0.563 11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.751 -0.534 11.954 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.242 0.980 12.675 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.097 0.792 14.335 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.559 -0.743 13.628 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.488 -1.781 14.276 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.749 -0.240 14.663 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.320 -0.907 16.793 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.793 -0.056 16.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.272 -2.217 17.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.789 -2.166 15.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.363 -2.991 16.112 1.00 0.00 H new ATOM 778 N TRP A 53 -11.594 2.733 12.566 1.00 0.00 N ATOM 779 CA TRP A 53 -11.977 4.020 13.136 1.00 0.00 C ATOM 780 C TRP A 53 -13.049 3.844 14.206 1.00 0.00 C ATOM 781 O TRP A 53 -13.984 3.060 14.038 1.00 0.00 O ATOM 782 CB TRP A 53 -12.483 4.956 12.038 1.00 0.00 C ATOM 783 CG TRP A 53 -12.971 6.274 12.559 1.00 0.00 C ATOM 784 CD1 TRP A 53 -12.211 7.367 12.863 1.00 0.00 C ATOM 785 CD2 TRP A 53 -14.327 6.636 12.840 1.00 0.00 C ATOM 786 NE1 TRP A 53 -13.013 8.387 13.316 1.00 0.00 N ATOM 787 CE2 TRP A 53 -14.316 7.964 13.310 1.00 0.00 C ATOM 788 CE3 TRP A 53 -15.551 5.969 12.738 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -15.480 8.634 13.678 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -16.705 6.635 13.103 1.00 0.00 C ATOM 791 CH2 TRP A 53 -16.663 7.956 13.568 1.00 0.00 C ATOM 0 H TRP A 53 -12.352 2.052 12.514 1.00 0.00 H new ATOM 0 HA TRP A 53 -11.095 4.461 13.601 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -11.680 5.131 11.322 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -13.292 4.465 11.497 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.137 7.422 12.762 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -12.690 9.309 13.609 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -15.594 4.951 12.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -15.450 9.652 14.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -17.656 6.129 13.029 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -17.583 8.449 13.845 1.00 0.00 H new ATOM 802 N ARG A 54 -12.909 4.578 15.304 1.00 0.00 N ATOM 803 CA ARG A 54 -13.866 4.502 16.402 1.00 0.00 C ATOM 804 C ARG A 54 -14.398 3.081 16.562 1.00 0.00 C ATOM 805 O ARG A 54 -15.581 2.877 16.833 1.00 0.00 O ATOM 806 CB ARG A 54 -15.027 5.468 16.162 1.00 0.00 C ATOM 807 CG ARG A 54 -15.644 6.010 17.441 1.00 0.00 C ATOM 808 CD ARG A 54 -17.105 6.380 17.243 1.00 0.00 C ATOM 809 NE ARG A 54 -17.671 7.029 18.423 1.00 0.00 N ATOM 810 CZ ARG A 54 -18.905 7.517 18.472 1.00 0.00 C ATOM 811 NH1 ARG A 54 -19.699 7.429 17.414 1.00 0.00 N ATOM 812 NH2 ARG A 54 -19.348 8.093 19.583 1.00 0.00 N ATOM 0 H ARG A 54 -12.142 5.233 15.458 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.351 4.784 17.320 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.674 6.303 15.557 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.798 4.959 15.584 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.561 5.263 18.231 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.087 6.887 17.771 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -17.197 7.045 16.384 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.678 5.482 17.013 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.086 7.112 19.255 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -19.363 6.985 16.559 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -20.646 7.805 17.455 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.740 8.161 20.399 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.296 8.468 19.620 1.00 0.00 H new ATOM 826 N ASP A 55 -13.515 2.102 16.391 1.00 0.00 N ATOM 827 CA ASP A 55 -13.895 0.700 16.517 1.00 0.00 C ATOM 828 C ASP A 55 -14.807 0.279 15.369 1.00 0.00 C ATOM 829 O ASP A 55 -15.832 -0.371 15.581 1.00 0.00 O ATOM 830 CB ASP A 55 -14.594 0.457 17.856 1.00 0.00 C ATOM 831 CG ASP A 55 -14.584 -1.005 18.258 1.00 0.00 C ATOM 832 OD1 ASP A 55 -14.555 -1.867 17.356 1.00 0.00 O ATOM 833 OD2 ASP A 55 -14.605 -1.286 19.474 1.00 0.00 O ATOM 0 H ASP A 55 -12.532 2.254 16.165 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.987 0.098 16.476 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -14.104 1.047 18.631 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.625 0.806 17.793 1.00 0.00 H new ATOM 838 N THR A 56 -14.428 0.654 14.151 1.00 0.00 N ATOM 839 CA THR A 56 -15.213 0.317 12.970 1.00 0.00 C ATOM 840 C THR A 56 -14.327 -0.249 11.865 1.00 0.00 C ATOM 841 O THR A 56 -13.458 0.444 11.338 1.00 0.00 O ATOM 842 CB THR A 56 -15.967 1.546 12.428 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.886 2.030 13.413 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.720 1.199 11.152 1.00 0.00 C ATOM 0 H THR A 56 -13.583 1.191 13.957 1.00 0.00 H new ATOM 0 HA THR A 56 -15.937 -0.439 13.276 1.00 0.00 H new ATOM 0 HB THR A 56 -15.236 2.322 12.201 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.360 2.812 13.062 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.245 2.082 10.788 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.014 0.858 10.394 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.441 0.408 11.359 1.00 0.00 H new ATOM 852 N GLU A 57 -14.555 -1.513 11.520 1.00 0.00 N ATOM 853 CA GLU A 57 -13.777 -2.171 10.478 1.00 0.00 C ATOM 854 C GLU A 57 -14.568 -2.249 9.175 1.00 0.00 C ATOM 855 O GLU A 57 -15.674 -2.788 9.140 1.00 0.00 O ATOM 856 CB GLU A 57 -13.370 -3.577 10.925 1.00 0.00 C ATOM 857 CG GLU A 57 -12.168 -3.596 11.855 1.00 0.00 C ATOM 858 CD GLU A 57 -10.851 -3.624 11.105 1.00 0.00 C ATOM 859 OE1 GLU A 57 -10.690 -4.488 10.218 1.00 0.00 O ATOM 860 OE2 GLU A 57 -9.980 -2.780 11.405 1.00 0.00 O ATOM 0 H GLU A 57 -15.271 -2.100 11.947 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.879 -1.579 10.303 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.215 -4.048 11.427 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.147 -4.179 10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.197 -2.716 12.498 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.230 -4.469 12.505 1.00 0.00 H new ATOM 867 N ARG A 58 -13.992 -1.707 8.107 1.00 0.00 N ATOM 868 CA ARG A 58 -14.644 -1.713 6.802 1.00 0.00 C ATOM 869 C ARG A 58 -13.661 -2.112 5.706 1.00 0.00 C ATOM 870 O ARG A 58 -12.579 -1.536 5.586 1.00 0.00 O ATOM 871 CB ARG A 58 -15.233 -0.334 6.496 1.00 0.00 C ATOM 872 CG ARG A 58 -15.885 -0.241 5.127 1.00 0.00 C ATOM 873 CD ARG A 58 -17.331 -0.709 5.165 1.00 0.00 C ATOM 874 NE ARG A 58 -17.987 -0.565 3.868 1.00 0.00 N ATOM 875 CZ ARG A 58 -19.304 -0.468 3.718 1.00 0.00 C ATOM 876 NH1 ARG A 58 -20.099 -0.498 4.778 1.00 0.00 N ATOM 877 NH2 ARG A 58 -19.826 -0.338 2.505 1.00 0.00 N ATOM 0 H ARG A 58 -13.076 -1.258 8.119 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.450 -2.447 6.829 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.972 -0.086 7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.442 0.413 6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.844 0.789 4.773 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.324 -0.846 4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.366 -1.753 5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.878 -0.136 5.914 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.403 -0.537 3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -19.700 -0.596 5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.109 -0.423 4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.216 -0.313 1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.837 -0.264 2.390 1.00 0.00 H new ATOM 891 N HIS A 59 -14.044 -3.104 4.908 1.00 0.00 N ATOM 892 CA HIS A 59 -13.196 -3.581 3.820 1.00 0.00 C ATOM 893 C HIS A 59 -13.303 -2.664 2.606 1.00 0.00 C ATOM 894 O HIS A 59 -14.367 -2.112 2.323 1.00 0.00 O ATOM 895 CB HIS A 59 -13.584 -5.008 3.432 1.00 0.00 C ATOM 896 CG HIS A 59 -13.411 -5.999 4.542 1.00 0.00 C ATOM 897 ND1 HIS A 59 -12.502 -7.035 4.490 1.00 0.00 N ATOM 898 CD2 HIS A 59 -14.034 -6.107 5.738 1.00 0.00 C ATOM 899 CE1 HIS A 59 -12.576 -7.738 5.606 1.00 0.00 C ATOM 900 NE2 HIS A 59 -13.498 -7.196 6.381 1.00 0.00 N ATOM 0 H HIS A 59 -14.935 -3.593 4.994 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.163 -3.575 4.167 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.624 -5.017 3.107 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.981 -5.321 2.580 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.809 -5.457 6.117 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.983 -8.609 5.844 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.768 -7.531 7.306 1.00 0.00 H new ATOM 909 N LEU A 60 -12.194 -2.505 1.892 1.00 0.00 N ATOM 910 CA LEU A 60 -12.162 -1.653 0.708 1.00 0.00 C ATOM 911 C LEU A 60 -12.033 -2.490 -0.561 1.00 0.00 C ATOM 912 O LEU A 60 -11.727 -3.681 -0.503 1.00 0.00 O ATOM 913 CB LEU A 60 -11.001 -0.662 0.799 1.00 0.00 C ATOM 914 CG LEU A 60 -11.093 0.379 1.914 1.00 0.00 C ATOM 915 CD1 LEU A 60 -9.721 0.964 2.214 1.00 0.00 C ATOM 916 CD2 LEU A 60 -12.073 1.481 1.535 1.00 0.00 C ATOM 0 H LEU A 60 -11.305 -2.955 2.112 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.100 -1.100 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.078 -1.226 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.921 -0.139 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.460 -0.113 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.807 1.703 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.047 0.168 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.325 1.441 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.126 2.214 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.735 1.970 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.060 1.049 1.372 1.00 0.00 H new ATOM 928 N ALA A 61 -12.268 -1.859 -1.707 1.00 0.00 N ATOM 929 CA ALA A 61 -12.174 -2.544 -2.990 1.00 0.00 C ATOM 930 C ALA A 61 -10.795 -2.355 -3.613 1.00 0.00 C ATOM 931 O ALA A 61 -10.075 -1.403 -3.310 1.00 0.00 O ATOM 932 CB ALA A 61 -13.256 -2.044 -3.935 1.00 0.00 C ATOM 0 H ALA A 61 -12.525 -0.874 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.322 -3.610 -2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.174 -2.564 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.237 -2.237 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.134 -0.973 -4.094 1.00 0.00 H new ATOM 938 N PRO A 62 -10.416 -3.282 -4.505 1.00 0.00 N ATOM 939 CA PRO A 62 -9.120 -3.239 -5.190 1.00 0.00 C ATOM 940 C PRO A 62 -9.034 -2.095 -6.195 1.00 0.00 C ATOM 941 O PRO A 62 -7.942 -1.684 -6.590 1.00 0.00 O ATOM 942 CB PRO A 62 -9.054 -4.589 -5.909 1.00 0.00 C ATOM 943 CG PRO A 62 -10.477 -4.985 -6.103 1.00 0.00 C ATOM 944 CD PRO A 62 -11.223 -4.444 -4.915 1.00 0.00 C ATOM 0 HA PRO A 62 -8.297 -3.070 -4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.533 -4.504 -6.863 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.515 -5.328 -5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.873 -4.575 -7.032 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.575 -6.069 -6.165 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.240 -4.154 -5.177 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.298 -5.183 -4.117 1.00 0.00 H new ATOM 952 N HIS A 63 -10.190 -1.585 -6.605 1.00 0.00 N ATOM 953 CA HIS A 63 -10.245 -0.487 -7.564 1.00 0.00 C ATOM 954 C HIS A 63 -10.258 0.860 -6.848 1.00 0.00 C ATOM 955 O HIS A 63 -9.934 1.890 -7.438 1.00 0.00 O ATOM 956 CB HIS A 63 -11.483 -0.618 -8.452 1.00 0.00 C ATOM 957 CG HIS A 63 -12.704 -1.074 -7.713 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.526 -0.215 -7.015 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.241 -2.307 -7.568 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.515 -0.900 -6.471 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.366 -2.173 -6.792 1.00 0.00 N ATOM 0 H HIS A 63 -11.102 -1.914 -6.288 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.353 -0.538 -8.188 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.689 0.345 -8.918 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.271 -1.323 -9.256 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -12.856 -3.226 -7.985 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.310 -0.490 -5.867 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -14.986 -2.932 -6.509 1.00 0.00 H new ATOM 970 N GLU A 64 -10.634 0.843 -5.573 1.00 0.00 N ATOM 971 CA GLU A 64 -10.691 2.064 -4.778 1.00 0.00 C ATOM 972 C GLU A 64 -9.290 2.519 -4.379 1.00 0.00 C ATOM 973 O GLU A 64 -8.430 1.702 -4.051 1.00 0.00 O ATOM 974 CB GLU A 64 -11.543 1.845 -3.526 1.00 0.00 C ATOM 975 CG GLU A 64 -12.987 1.483 -3.830 1.00 0.00 C ATOM 976 CD GLU A 64 -13.793 1.199 -2.577 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.186 0.802 -1.559 1.00 0.00 O ATOM 978 OE2 GLU A 64 -15.029 1.372 -2.613 1.00 0.00 O ATOM 0 H GLU A 64 -10.903 -0.002 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.148 2.843 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.096 1.051 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.524 2.751 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.454 2.299 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.009 0.607 -4.478 1.00 0.00 H new ATOM 985 N ASN A 65 -9.068 3.829 -4.411 1.00 0.00 N ATOM 986 CA ASN A 65 -7.771 4.393 -4.054 1.00 0.00 C ATOM 987 C ASN A 65 -7.630 4.519 -2.540 1.00 0.00 C ATOM 988 O ASN A 65 -8.588 4.815 -1.825 1.00 0.00 O ATOM 989 CB ASN A 65 -7.590 5.763 -4.710 1.00 0.00 C ATOM 990 CG ASN A 65 -8.159 5.812 -6.115 1.00 0.00 C ATOM 991 OD1 ASN A 65 -9.264 6.308 -6.332 1.00 0.00 O ATOM 992 ND2 ASN A 65 -7.404 5.295 -7.077 1.00 0.00 N ATOM 0 H ASN A 65 -9.769 4.520 -4.680 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.997 3.718 -4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.076 6.523 -4.098 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.529 6.010 -4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.734 5.299 -8.042 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.494 4.894 -6.851 1.00 0.00 H new ATOM 999 N PRO A 66 -6.408 4.289 -2.038 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.112 4.372 -0.605 1.00 0.00 C ATOM 1001 C PRO A 66 -6.164 5.804 -0.084 1.00 0.00 C ATOM 1002 O PRO A 66 -6.828 6.088 0.914 1.00 0.00 O ATOM 1003 CB PRO A 66 -4.689 3.817 -0.503 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.091 4.061 -1.846 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.220 3.932 -2.831 1.00 0.00 C ATOM 0 HA PRO A 66 -6.841 3.825 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.123 4.321 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.695 2.755 -0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.639 5.051 -1.898 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.303 3.339 -2.059 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.089 4.601 -3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.292 2.920 -3.229 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.461 6.702 -0.765 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.429 8.105 -0.371 1.00 0.00 C ATOM 1015 C ILE A 67 -6.825 8.719 -0.409 1.00 0.00 C ATOM 1016 O ILE A 67 -7.202 9.483 0.480 1.00 0.00 O ATOM 1017 CB ILE A 67 -4.496 8.925 -1.282 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.059 8.409 -1.172 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.564 10.401 -0.919 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.095 9.103 -2.108 1.00 0.00 C ATOM 0 H ILE A 67 -4.906 6.483 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.048 8.137 0.650 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.826 8.810 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.713 8.537 -0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.049 7.339 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.899 10.967 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.586 10.759 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.256 10.535 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.096 8.687 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.417 8.953 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.076 10.170 -1.885 1.00 0.00 H new ATOM 1032 N ILE A 68 -7.587 8.378 -1.443 1.00 0.00 N ATOM 1033 CA ILE A 68 -8.942 8.893 -1.595 1.00 0.00 C ATOM 1034 C ILE A 68 -9.861 8.352 -0.506 1.00 0.00 C ATOM 1035 O ILE A 68 -10.608 9.103 0.121 1.00 0.00 O ATOM 1036 CB ILE A 68 -9.530 8.534 -2.973 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -8.560 8.937 -4.086 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -10.878 9.211 -3.166 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -8.314 10.427 -4.163 1.00 0.00 C ATOM 0 H ILE A 68 -7.289 7.748 -2.187 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.879 9.978 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.678 7.455 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.609 8.428 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.953 8.592 -5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.281 8.948 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.566 8.879 -2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.754 10.292 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.617 10.639 -4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.256 10.942 -4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.891 10.775 -3.221 1.00 0.00 H new ATOM 1051 N SER A 69 -9.800 7.043 -0.284 1.00 0.00 N ATOM 1052 CA SER A 69 -10.628 6.399 0.729 1.00 0.00 C ATOM 1053 C SER A 69 -10.550 7.152 2.054 1.00 0.00 C ATOM 1054 O SER A 69 -11.505 7.166 2.831 1.00 0.00 O ATOM 1055 CB SER A 69 -10.191 4.947 0.928 1.00 0.00 C ATOM 1056 OG SER A 69 -10.841 4.088 0.007 1.00 0.00 O ATOM 0 H SER A 69 -9.185 6.407 -0.792 1.00 0.00 H new ATOM 0 HA SER A 69 -11.661 6.415 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.111 4.869 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.418 4.632 1.946 1.00 0.00 H new ATOM 0 HG SER A 69 -10.334 4.063 -0.831 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.405 7.778 2.304 1.00 0.00 N ATOM 1063 CA LEU A 70 -9.200 8.534 3.534 1.00 0.00 C ATOM 1064 C LEU A 70 -9.691 9.970 3.380 1.00 0.00 C ATOM 1065 O LEU A 70 -10.481 10.457 4.188 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.719 8.529 3.919 1.00 0.00 C ATOM 1067 CG LEU A 70 -7.256 7.360 4.790 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -5.746 7.390 4.964 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -7.952 7.395 6.143 1.00 0.00 C ATOM 0 H LEU A 70 -8.605 7.777 1.671 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.777 8.055 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.126 8.532 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.498 9.458 4.445 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.525 6.430 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.435 6.551 5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.266 7.316 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.453 8.325 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.611 6.556 6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.714 8.330 6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.030 7.324 5.999 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.220 10.642 2.334 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.613 12.022 2.072 1.00 0.00 C ATOM 1083 C ASN A 71 -11.067 12.258 2.469 1.00 0.00 C ATOM 1084 O ASN A 71 -11.403 13.285 3.059 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.415 12.358 0.593 1.00 0.00 C ATOM 1086 CG ASN A 71 -7.951 12.394 0.199 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -7.067 12.430 1.056 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.688 12.385 -1.102 1.00 0.00 N ATOM 0 H ASN A 71 -8.566 10.253 1.654 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.980 12.675 2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.935 11.619 -0.017 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.870 13.325 0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.721 12.408 -1.427 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.452 12.355 -1.777 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.927 11.300 2.140 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.345 11.401 2.463 1.00 0.00 C ATOM 1097 C LYS A 72 -13.548 12.042 3.832 1.00 0.00 C ATOM 1098 O LYS A 72 -14.167 13.100 3.946 1.00 0.00 O ATOM 1099 CB LYS A 72 -13.995 10.015 2.436 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.391 9.556 1.043 1.00 0.00 C ATOM 1101 CD LYS A 72 -15.721 10.154 0.616 1.00 0.00 C ATOM 1102 CE LYS A 72 -16.893 9.340 1.145 1.00 0.00 C ATOM 1103 NZ LYS A 72 -17.275 9.752 2.524 1.00 0.00 N ATOM 0 H LYS A 72 -11.666 10.444 1.650 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.818 12.033 1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.303 9.290 2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.881 10.026 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.617 9.842 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.457 8.468 1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.794 11.179 0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.769 10.198 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.748 9.460 0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.632 8.282 1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.312 9.772 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.887 9.073 3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.894 10.699 2.721 1.00 0.00 H new ATOM 1117 N TRP A 73 -13.022 11.396 4.866 1.00 0.00 N ATOM 1118 CA TRP A 73 -13.144 11.905 6.227 1.00 0.00 C ATOM 1119 C TRP A 73 -12.618 13.333 6.324 1.00 0.00 C ATOM 1120 O TRP A 73 -13.277 14.211 6.879 1.00 0.00 O ATOM 1121 CB TRP A 73 -12.385 11.002 7.202 1.00 0.00 C ATOM 1122 CG TRP A 73 -12.686 9.546 7.018 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -12.003 8.661 6.233 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.748 8.806 7.630 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.577 7.415 6.320 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.648 7.477 7.172 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -14.771 9.135 8.523 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -14.534 6.483 7.575 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -15.650 8.147 8.922 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -15.527 6.833 8.450 1.00 0.00 C ATOM 0 H TRP A 73 -12.507 10.519 4.788 1.00 0.00 H new ATOM 0 HA TRP A 73 -14.201 11.908 6.493 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.314 11.163 7.077 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -12.634 11.291 8.223 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.139 8.904 5.632 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.257 6.580 5.830 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.873 10.144 8.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.442 5.471 7.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -16.446 8.391 9.610 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -16.229 6.083 8.783 1.00 0.00 H new ATOM 1141 N GLY A 74 -11.426 13.559 5.779 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.833 14.883 5.815 1.00 0.00 C ATOM 1143 C GLY A 74 -10.406 15.289 7.212 1.00 0.00 C ATOM 1144 O GLY A 74 -9.298 14.974 7.645 1.00 0.00 O ATOM 0 H GLY A 74 -10.861 12.849 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.968 14.909 5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.550 15.609 5.432 1.00 0.00 H new ATOM 1148 N GLN A 75 -11.287 15.992 7.917 1.00 0.00 N ATOM 1149 CA GLN A 75 -10.994 16.444 9.272 1.00 0.00 C ATOM 1150 C GLN A 75 -10.604 15.271 10.164 1.00 0.00 C ATOM 1151 O GLN A 75 -9.664 15.364 10.954 1.00 0.00 O ATOM 1152 CB GLN A 75 -12.203 17.170 9.863 1.00 0.00 C ATOM 1153 CG GLN A 75 -13.466 16.324 9.893 1.00 0.00 C ATOM 1154 CD GLN A 75 -14.700 17.129 10.251 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -14.623 18.104 11.000 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -15.846 16.726 9.716 1.00 0.00 N ATOM 0 H GLN A 75 -12.209 16.261 7.572 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.153 17.135 9.224 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.965 17.488 10.878 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.394 18.073 9.282 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.611 15.859 8.918 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.341 15.517 10.615 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.863 15.913 9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.709 17.230 9.920 1.00 0.00 H new ATOM 1165 N TYR A 76 -11.332 14.167 10.034 1.00 0.00 N ATOM 1166 CA TYR A 76 -11.064 12.976 10.831 1.00 0.00 C ATOM 1167 C TYR A 76 -10.465 11.868 9.971 1.00 0.00 C ATOM 1168 O TYR A 76 -10.838 10.702 10.093 1.00 0.00 O ATOM 1169 CB TYR A 76 -12.350 12.482 11.496 1.00 0.00 C ATOM 1170 CG TYR A 76 -12.657 13.171 12.807 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -11.933 12.876 13.956 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -13.671 14.116 12.897 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -12.210 13.502 15.156 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -13.954 14.748 14.092 1.00 0.00 C ATOM 1175 CZ TYR A 76 -13.221 14.438 15.219 1.00 0.00 C ATOM 1176 OH TYR A 76 -13.501 15.064 16.411 1.00 0.00 O ATOM 0 H TYR A 76 -12.112 14.072 9.384 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.342 13.242 11.603 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -13.185 12.634 10.811 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.271 11.409 11.669 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.140 12.144 13.910 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -14.248 14.361 12.017 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.638 13.260 16.040 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -14.745 15.481 14.144 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.240 15.695 16.283 1.00 0.00 H new ATOM 1186 N ALA A 77 -9.533 12.242 9.100 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.879 11.281 8.221 1.00 0.00 C ATOM 1188 C ALA A 77 -7.687 10.627 8.911 1.00 0.00 C ATOM 1189 O ALA A 77 -7.479 9.419 8.800 1.00 0.00 O ATOM 1190 CB ALA A 77 -8.438 11.959 6.932 1.00 0.00 C ATOM 0 H ALA A 77 -9.214 13.204 8.985 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.599 10.499 7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.951 11.229 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.308 12.372 6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.738 12.762 7.164 1.00 0.00 H new ATOM 1196 N SER A 78 -6.907 11.433 9.624 1.00 0.00 N ATOM 1197 CA SER A 78 -5.732 10.933 10.329 1.00 0.00 C ATOM 1198 C SER A 78 -6.124 9.869 11.350 1.00 0.00 C ATOM 1199 O SER A 78 -5.502 8.809 11.427 1.00 0.00 O ATOM 1200 CB SER A 78 -5.003 12.082 11.027 1.00 0.00 C ATOM 1201 OG SER A 78 -5.891 12.833 11.837 1.00 0.00 O ATOM 0 H SER A 78 -7.067 12.435 9.729 1.00 0.00 H new ATOM 0 HA SER A 78 -5.064 10.480 9.596 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.195 11.684 11.640 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.547 12.733 10.282 1.00 0.00 H new ATOM 0 HG SER A 78 -5.400 13.560 12.273 1.00 0.00 H new ATOM 1207 N ASP A 79 -7.157 10.160 12.132 1.00 0.00 N ATOM 1208 CA ASP A 79 -7.634 9.229 13.148 1.00 0.00 C ATOM 1209 C ASP A 79 -7.770 7.822 12.575 1.00 0.00 C ATOM 1210 O ASP A 79 -7.466 6.835 13.245 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.977 9.697 13.709 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.856 10.980 14.507 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -8.110 11.882 14.071 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -9.506 11.083 15.569 1.00 0.00 O ATOM 0 H ASP A 79 -7.681 11.034 12.082 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.901 9.204 13.955 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.678 9.848 12.888 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.394 8.916 14.344 1.00 0.00 H new ATOM 1219 N VAL A 80 -8.230 7.738 11.330 1.00 0.00 N ATOM 1220 CA VAL A 80 -8.407 6.452 10.667 1.00 0.00 C ATOM 1221 C VAL A 80 -7.065 5.772 10.419 1.00 0.00 C ATOM 1222 O VAL A 80 -6.130 6.390 9.910 1.00 0.00 O ATOM 1223 CB VAL A 80 -9.145 6.610 9.324 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -9.416 5.249 8.700 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -10.440 7.384 9.517 1.00 0.00 C ATOM 0 H VAL A 80 -8.486 8.545 10.761 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.008 5.833 11.333 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.508 7.175 8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.938 5.381 7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.471 4.734 8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.033 4.656 9.375 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.949 7.487 8.559 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.084 6.848 10.214 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.217 8.373 9.917 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.978 4.496 10.781 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.749 3.732 10.598 1.00 0.00 C ATOM 1237 C GLN A 81 -5.938 2.640 9.550 1.00 0.00 C ATOM 1238 O GLN A 81 -7.059 2.196 9.297 1.00 0.00 O ATOM 1239 CB GLN A 81 -5.307 3.112 11.925 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.711 4.117 12.897 1.00 0.00 C ATOM 1241 CD GLN A 81 -4.314 3.486 14.217 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -5.015 2.620 14.740 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -3.184 3.919 14.764 1.00 0.00 N ATOM 0 H GLN A 81 -7.743 3.970 11.202 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.975 4.415 10.249 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.164 2.629 12.394 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.572 2.332 11.725 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.836 4.581 12.443 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.434 4.912 13.081 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.634 4.639 14.296 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.866 3.532 15.653 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.837 2.212 8.944 1.00 0.00 N ATOM 1253 CA LEU A 82 -4.881 1.172 7.923 1.00 0.00 C ATOM 1254 C LEU A 82 -4.238 -0.116 8.429 1.00 0.00 C ATOM 1255 O LEU A 82 -3.228 -0.081 9.133 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.170 1.645 6.653 1.00 0.00 C ATOM 1257 CG LEU A 82 -4.933 2.654 5.794 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -3.993 3.337 4.812 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -6.075 1.972 5.056 1.00 0.00 C ATOM 0 H LEU A 82 -3.902 2.569 9.142 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.927 0.969 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.216 2.089 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.945 0.772 6.040 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.355 3.415 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.553 4.052 4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.211 3.860 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.541 2.589 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.606 2.706 4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.675 1.190 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.763 1.531 5.778 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.828 -1.249 8.064 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.311 -2.547 8.479 1.00 0.00 C ATOM 1273 C ILE A 83 -4.339 -3.544 7.325 1.00 0.00 C ATOM 1274 O ILE A 83 -5.406 -3.895 6.819 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.114 -3.122 9.660 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.060 -2.169 10.855 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.581 -4.494 10.045 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.143 -1.113 10.835 1.00 0.00 C ATOM 0 H ILE A 83 -5.664 -1.294 7.482 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.280 -2.390 8.795 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.154 -3.231 9.353 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.145 -2.748 11.775 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.086 -1.679 10.875 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.159 -4.887 10.881 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.668 -5.170 9.194 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.534 -4.409 10.336 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.043 -0.473 11.712 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.046 -0.510 9.932 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.121 -1.594 10.846 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.160 -3.998 6.914 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.049 -4.958 5.821 1.00 0.00 C ATOM 1292 C LEU A 84 -3.330 -6.375 6.309 1.00 0.00 C ATOM 1293 O LEU A 84 -2.505 -6.983 6.991 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.654 -4.889 5.196 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.502 -5.542 3.822 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -1.990 -4.606 2.728 1.00 0.00 C ATOM 1297 CD2 LEU A 84 -0.053 -5.940 3.579 1.00 0.00 C ATOM 0 H LEU A 84 -2.268 -3.717 7.321 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.792 -4.700 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.367 -3.841 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.947 -5.359 5.880 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.115 -6.443 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.874 -5.089 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.042 -4.371 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.405 -3.686 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.037 -6.403 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.580 -5.054 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.263 -6.649 4.345 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.500 -6.896 5.954 1.00 0.00 N ATOM 1310 CA ARG A 85 -4.890 -8.243 6.355 1.00 0.00 C ATOM 1311 C ARG A 85 -4.864 -9.194 5.162 1.00 0.00 C ATOM 1312 O ARG A 85 -4.944 -8.765 4.011 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.287 -8.228 6.978 1.00 0.00 C ATOM 1314 CG ARG A 85 -6.308 -7.723 8.412 1.00 0.00 C ATOM 1315 CD ARG A 85 -6.082 -8.853 9.404 1.00 0.00 C ATOM 1316 NE ARG A 85 -4.661 -9.092 9.647 1.00 0.00 N ATOM 1317 CZ ARG A 85 -4.205 -9.960 10.543 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -5.052 -10.669 11.276 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -2.898 -10.121 10.706 1.00 0.00 N ATOM 0 H ARG A 85 -5.194 -6.406 5.390 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.173 -8.597 7.096 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.940 -7.601 6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.699 -9.237 6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.537 -6.963 8.543 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.266 -7.244 8.616 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.575 -8.613 10.346 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.544 -9.765 9.026 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.982 -8.564 9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.057 -10.549 11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.698 -11.335 11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.243 -9.578 10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.548 -10.788 11.394 1.00 0.00 H new ATOM 1333 N ARG A 86 -4.751 -10.488 5.446 1.00 0.00 N ATOM 1334 CA ARG A 86 -4.712 -11.500 4.397 1.00 0.00 C ATOM 1335 C ARG A 86 -6.064 -12.196 4.264 1.00 0.00 C ATOM 1336 O ARG A 86 -6.602 -12.724 5.238 1.00 0.00 O ATOM 1337 CB ARG A 86 -3.622 -12.531 4.694 1.00 0.00 C ATOM 1338 CG ARG A 86 -3.193 -13.331 3.475 1.00 0.00 C ATOM 1339 CD ARG A 86 -2.089 -14.319 3.817 1.00 0.00 C ATOM 1340 NE ARG A 86 -2.567 -15.397 4.680 1.00 0.00 N ATOM 1341 CZ ARG A 86 -2.637 -15.303 6.003 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -2.263 -14.186 6.612 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -3.083 -16.327 6.719 1.00 0.00 N ATOM 0 H ARG A 86 -4.685 -10.860 6.394 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.484 -11.003 3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.753 -12.020 5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.982 -13.217 5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.051 -13.868 3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.846 -12.652 2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.684 -14.743 2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.273 -13.793 4.312 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.863 -16.269 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.921 -13.397 6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.318 -14.116 7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.372 -17.187 6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.136 -16.254 7.735 1.00 0.00 H new ATOM 1357 N THR A 87 -6.608 -12.193 3.051 1.00 0.00 N ATOM 1358 CA THR A 87 -7.896 -12.823 2.790 1.00 0.00 C ATOM 1359 C THR A 87 -7.718 -14.204 2.171 1.00 0.00 C ATOM 1360 O THR A 87 -8.692 -14.914 1.921 1.00 0.00 O ATOM 1361 CB THR A 87 -8.763 -11.961 1.853 1.00 0.00 C ATOM 1362 OG1 THR A 87 -8.016 -11.603 0.685 1.00 0.00 O ATOM 1363 CG2 THR A 87 -9.239 -10.702 2.563 1.00 0.00 C ATOM 0 H THR A 87 -6.176 -11.761 2.234 1.00 0.00 H new ATOM 0 HA THR A 87 -8.400 -12.922 3.752 1.00 0.00 H new ATOM 0 HB THR A 87 -9.635 -12.546 1.560 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.575 -11.056 0.094 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.849 -10.109 1.882 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.832 -10.978 3.435 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.377 -10.116 2.882 1.00 0.00 H new ATOM 1371 N GLY A 88 -6.467 -14.581 1.925 1.00 0.00 N ATOM 1372 CA GLY A 88 -6.184 -15.877 1.337 1.00 0.00 C ATOM 1373 C GLY A 88 -4.759 -16.330 1.589 1.00 0.00 C ATOM 1374 O GLY A 88 -3.830 -15.524 1.646 1.00 0.00 O ATOM 0 H GLY A 88 -5.644 -14.012 2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.874 -16.616 1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.363 -15.832 0.263 1.00 0.00 H new ATOM 1378 N PRO A 89 -4.572 -17.649 1.746 1.00 0.00 N ATOM 1379 CA PRO A 89 -3.253 -18.237 1.997 1.00 0.00 C ATOM 1380 C PRO A 89 -2.340 -18.153 0.778 1.00 0.00 C ATOM 1381 O PRO A 89 -2.809 -18.035 -0.354 1.00 0.00 O ATOM 1382 CB PRO A 89 -3.573 -19.697 2.326 1.00 0.00 C ATOM 1383 CG PRO A 89 -4.872 -19.963 1.647 1.00 0.00 C ATOM 1384 CD PRO A 89 -5.634 -18.667 1.690 1.00 0.00 C ATOM 0 HA PRO A 89 -2.717 -17.715 2.790 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.792 -20.365 1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.650 -19.853 3.402 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.715 -20.290 0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.422 -20.756 2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.264 -18.542 0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -6.288 -18.614 2.560 1.00 0.00 H new ATOM 1392 N SER A 90 -1.034 -18.216 1.018 1.00 0.00 N ATOM 1393 CA SER A 90 -0.055 -18.144 -0.060 1.00 0.00 C ATOM 1394 C SER A 90 0.031 -19.472 -0.806 1.00 0.00 C ATOM 1395 O SER A 90 -0.550 -20.471 -0.386 1.00 0.00 O ATOM 1396 CB SER A 90 1.320 -17.768 0.496 1.00 0.00 C ATOM 1397 OG SER A 90 1.701 -18.640 1.547 1.00 0.00 O ATOM 0 H SER A 90 -0.630 -18.317 1.949 1.00 0.00 H new ATOM 0 HA SER A 90 -0.379 -17.374 -0.761 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.062 -17.809 -0.302 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.300 -16.741 0.861 1.00 0.00 H new ATOM 0 HG SER A 90 2.584 -18.380 1.884 1.00 0.00 H new ATOM 1403 N GLY A 91 0.761 -19.473 -1.917 1.00 0.00 N ATOM 1404 CA GLY A 91 0.910 -20.683 -2.705 1.00 0.00 C ATOM 1405 C GLY A 91 2.359 -21.103 -2.854 1.00 0.00 C ATOM 1406 O GLY A 91 3.233 -20.671 -2.102 1.00 0.00 O ATOM 0 H GLY A 91 1.252 -18.658 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.347 -21.490 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.477 -20.525 -3.693 1.00 0.00 H new ATOM 1410 N PRO A 92 2.630 -21.968 -3.843 1.00 0.00 N ATOM 1411 CA PRO A 92 3.982 -22.466 -4.110 1.00 0.00 C ATOM 1412 C PRO A 92 4.898 -21.385 -4.673 1.00 0.00 C ATOM 1413 O PRO A 92 4.714 -20.926 -5.800 1.00 0.00 O ATOM 1414 CB PRO A 92 3.755 -23.568 -5.149 1.00 0.00 C ATOM 1415 CG PRO A 92 2.481 -23.194 -5.825 1.00 0.00 C ATOM 1416 CD PRO A 92 1.637 -22.524 -4.777 1.00 0.00 C ATOM 0 HA PRO A 92 4.475 -22.812 -3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 92 4.580 -23.619 -5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.680 -24.548 -4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.667 -22.523 -6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.979 -24.074 -6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.008 -21.744 -5.206 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.973 -23.233 -4.282 1.00 0.00 H new ATOM 1424 N SER A 93 5.885 -20.981 -3.879 1.00 0.00 N ATOM 1425 CA SER A 93 6.829 -19.950 -4.297 1.00 0.00 C ATOM 1426 C SER A 93 8.244 -20.513 -4.388 1.00 0.00 C ATOM 1427 O SER A 93 8.577 -21.494 -3.723 1.00 0.00 O ATOM 1428 CB SER A 93 6.797 -18.774 -3.320 1.00 0.00 C ATOM 1429 OG SER A 93 5.471 -18.325 -3.104 1.00 0.00 O ATOM 0 H SER A 93 6.052 -21.351 -2.943 1.00 0.00 H new ATOM 0 HA SER A 93 6.533 -19.600 -5.286 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.242 -19.074 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.402 -17.956 -3.711 1.00 0.00 H new ATOM 0 HG SER A 93 5.478 -17.574 -2.474 1.00 0.00 H new ATOM 1435 N SER A 94 9.072 -19.886 -5.217 1.00 0.00 N ATOM 1436 CA SER A 94 10.450 -20.325 -5.399 1.00 0.00 C ATOM 1437 C SER A 94 10.499 -21.758 -5.921 1.00 0.00 C ATOM 1438 O SER A 94 11.323 -22.561 -5.487 1.00 0.00 O ATOM 1439 CB SER A 94 11.218 -20.225 -4.080 1.00 0.00 C ATOM 1440 OG SER A 94 12.598 -20.484 -4.272 1.00 0.00 O ATOM 0 H SER A 94 8.812 -19.072 -5.774 1.00 0.00 H new ATOM 0 HA SER A 94 10.919 -19.672 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.087 -19.230 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.808 -20.935 -3.362 1.00 0.00 H new ATOM 0 HG SER A 94 12.709 -21.349 -4.718 1.00 0.00 H new ATOM 1446 N GLY A 95 9.608 -22.070 -6.858 1.00 0.00 N ATOM 1447 CA GLY A 95 9.565 -23.406 -7.425 1.00 0.00 C ATOM 1448 C GLY A 95 8.597 -24.315 -6.694 1.00 0.00 C ATOM 1449 O GLY A 95 8.501 -25.503 -7.000 1.00 0.00 O ATOM 0 H GLY A 95 8.916 -21.422 -7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.277 -23.343 -8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.563 -23.843 -7.394 1.00 0.00 H new TER 1453 GLY A 95